SCHEMBL8555087

SCHEMBL8555087

CCC(C(N)=O)(c1ccc(F)cc1)N1C(=O)C(NC(=O)OCc2ccccc2)N=C(CN2CCOCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
BRD2 P25440 7/20 0.41
BRD3 Q15059 7/20 0.41
SENP1 Q9P0U3 2/20 0.39
CCKBR P32239 2/20 0.37
ENPP2 Q13822 1/20 0.37
SCN9A Q15858 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CACNA1G O43497 1/20 0.34
CHRM4 P08173 1/20 0.34
OXTR P30559 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8555082 0.79 SENP1 (0.44) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL9007263 0.78 SENP1 (0.42) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL8555255 0.75 CBLB (0.37) CCKBROXTR
SCHEMBL8558106 0.74 SENP1 (0.49) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL8553128 0.71 CBLB (0.56) CCKBR
SCHEMBL9007333 0.69 ENPP2 (0.35) ENPP2SCN9AABL1RIN1CACNA1G
SCHEMBL8595286 0.66 CCKBR (0.46) CCKBR
SCHEMBL8622534 0.66 SENP1 (0.47) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL6301555 0.66 SCN9A (0.57) BRD4BRD2BRD3SENP1CCKBR
SCHEMBL4420621 0.66 SCN9A (0.69) BRD4BRD2BRD3SENP1CCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed